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CAS 2112734-70-8 N-(Hydroxy-PEG3)-N-bis(PEG4-t-butyl ester) molecular structure lightbox
CAS RN: 2112734-70-8

N-(Hydroxy-PEG3)-N-bis(PEG4-t-butyl ester)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-100859
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2112734-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

2112734-70-8 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2112734-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112734-70-8
Multi CAS
No
Molecular Formula
C38H75NO16
Molecular Weight
802.000000
Exact Mass
801.508585
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCO)CCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C38H75NO16/c1-37(2,3)54-35(41)7-13-43-19-25-49-31-33-52-28-22-46-16-10-39(9-15-45-21-27-51-30-24-48-18-12-40)11-17-47-23-29-53-34-32-50-26-20-44-14-8-36(42)55-38(4,5)6/h40H,7-34H2,1-6H3
InChIKey
HUNABBFTEGRMNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Fraction Csp3
0.95
Rotatable bonds
41
H-bond acceptors
17
H-bond donors
1
Molar refractivity
203.46
TPSA
177.6

LogP / Solubility

WLOGP
1.93
MLOGP
1.77
XLogP3
-0.4
Consensus LogP
1.1
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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